SCHEMBL7398403

SCHEMBL7398403

COc1ccc2c(c1)nc(OCCN1CCCC1)c1cccn12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
HTR2C P28335 1/20 0.52
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
RAD51 Q06609 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
LTA4H P09960 2/20 0.47
BCHE P06276 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7403145 0.99 HTR1A (0.51) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7401257 0.91 HTR1A (0.49) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7403340 0.83 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7401521 0.83 HTR3E (0.48) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7403329 0.78 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7362880 0.78 HTR2C (0.66) HTR1AHTR2CHTR3A
SCHEMBL7370137 0.77 HTR2C (0.63) HTR1AHTR2CHTR3A
SCHEMBL7398383 0.75 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7365939 0.74 HTR3E (0.54) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7362654 0.74 HTR2A (0.50) HTR1AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014381-A1 ETHER DERIVATIVES OF PYRROLO[1,2-A]QUINOXALINES, METHOD FOR PRODUCING THEM AND THEIR USE IN THERAPY UNIVERSITE DE CAEN BASSE-NORMANDIE (FR) 2001-03-01 WO disclosed